N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide

C14H18N6OS — CID 100678045

IUPACN,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C14H18N6OS/c1-10-13(22-18-16-10)14(21)19(2)9-11-5-4-8-20(11)12-6-3-7-15-17-12/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyOUKWQOWAVQIPIV-NSHDSACASA-N
MW318.41 g/mol
LogP1.38
Rot. Bonds4

About N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide

N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 100678045) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID100678045
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC NameN,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)C[C@@H]1CCCN1c1cccnn1
InChIInChI=1S/C14H18N6OS/c1-10-13(22-18-16-10)14(21)19(2)9-11-5-4-8-20(11)12-6-3-7-15-17-12/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyOUKWQOWAVQIPIV-NSHDSACASA-N
XLogP1.38
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56781014
2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95600282
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[4-[[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 95600224
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-pyridin-4-ylacetamide
CID 56802082
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95338210
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 86894511
N-(2-bromophenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894652
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide (CID 100678045) is N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)C[C@@H]1CCCN1c1cccnn1.
What is the InChIKey of N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is OUKWQOWAVQIPIV-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10-13(22-18-16-10)14(21)19(2)9-11-5-4-8-20(11)12-6-3-7-15-17-12/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide?
N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 318.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 100678045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).